N-[3-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)-2-methylphenyl]oxolane-2-carboxamide

• ChemBase ID: 827801
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(c(NC(=O)C2OCCC2)ccc1)C
• Canonical SMILES: O=C(C1CCCO1)Nc1cccc(c1C)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H24N4O3/c1-13-14(6-4-7-15(13)22-20(26)16-8-5-11-27-16)19(25)23-18-12-21-17-9-2-3-10-24(17)18/h4,6-7,12,16H,2-3,5,8-11H2,1H3,(H,22,26)(H,23,25)
• InChIKey: BXOYPWLBIDAYJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)-2-methylphenyl]oxolane-2-carboxamide
• IUPAC Traditional name: N-[3-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)-2-methylphenyl]oxolane-2-carboxamide
• Synonyms: N-{2-methyl-3-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)carbonyl]phenyl}tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.691583
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5833687
• LogD (pH = 7.4): 2.2203598
• Log P: 2.249028
• Molar Refractivity: 104.2772 cm^3
• Polarizability: 38.39124 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.16
• LOG S: -2.88
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4